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Target
Threonine--tRNA ligase
Ligand
BDBM50426196
Substrate
n/a
Meas. Tech.
ChEMBL_935847 (CHEMBL2317883)
Ki
>50000±n/a nM
Citation
 Teng, M; Hilgers, MT; Cunningham, ML; Borchardt, A; Locke, JB; Abraham, S; Haley, G; Kwan, BP; Hall, C; Hough, GW; Shaw, KJ; Finn, J Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design. J Med Chem 56:1748-60 (2013) [PubMed]  Article 
Target
Name:
Threonine--tRNA ligase
Synonyms:
SYT_YERPE | ThrRS | YP_2221 | thrS | y1903
Type:
PROTEIN
Mol. Mass.:
73649.43
Organism:
Yersinia pestis
Description:
ChEMBL_935847
Residue:
642
Sequence:
MPVITLPDGSQRHYDHAVSVLDVALDIGPGLAKACIAGRVNGELVDASDLIESDAQLAIITAKDAEGLEILRHSCAHLLGHAIKQLWPDTKMAIGPVIDNGFYYDVDIEHTLTQEDLALLEKRMHELADKDYDVIKKKVSWQEARDTFAARGEDYKVAILDENISRDDRPGLYHHEEYVDMCRGPHVPNMRFCHHFKLQKTSGAYWRGDSKNKMLQRIYGTAWGDKKQLNAYLQRLEEAAKRDHRKIGKQLDLYHMQEEAPGMVFWHNDGWTIFRELETFVRMKLKEYQYQEVKGPFMMDRVLWEKTGHWENYAEHMFTTSSENREYCIKPMNCPGHVQIFNQGLKSYRDLPLRMAEFGSCHRNEPSGALHGLMRVRGFTQDDAHVFCTEEQVRDEVNSCIKMVYDMYSTFGFEKIVVKLSTRPEKRIGSDELWTRAEDDLAAALTENGIPFDYQPGEGAFYGPKIEFTLHDCLDRAWQCGTVQLDFSLPGRLSASYIGENNDRQVPVMIHRAILGSMERFIGILTEEYAGFFPTWLAPVQVVVMNITDSQSDYVQQVTKKLQDAGIRAKADLRNEKIGFKIREHTLRRVPYMLVCGDKEVESGKIAVRTRRGKDLGSLDVNVVVDQLLAEIRSRSLHQLEE
  
Inhibitor
Name:
BDBM50426196
Synonyms:
CHEMBL2316964
Type:
Small organic molecule
Emp. Form.:
C18H20ClN5O3S
Mol. Mass.:
421.901
SMILES:
C[C@@H](O)[C@H](N)CNS(=O)(=O)c1cccc(c1)-c1ccc2c(N)nc(Cl)nc2c1 |r|
Structure:
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